Information card for entry 7127943

Structure parameters

• Formula: C136 H176 B8 F32 N16 Pd4 Si8
• Calculated formula: C136 H176 B3 F12 N16 Pd4 Si8
• Title of publication: A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.
• Authors of publication: Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 23
• Pages of publication: 2919 - 2922
• a: 18.542 ± 0.004 Å
• b: 22.252 ± 0.004 Å
• c: 27.335 ± 0.005 Å
• α: 89.28 ± 0.03°
• β: 79.37 ± 0.03°
• γ: 68.4 ± 0.03°
• Cell volume: 10287 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.1402
• Weighted residual factors for significantly intense reflections: 0.3854
• Weighted residual factors for all reflections included in the refinement: 0.4087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.988
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No